Lumequeic acid

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  • Identifiers

    CAS number
    67329-09-3

    Molecular formula
    C30H58O2

    SMILES
    CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 77.65%
    Fatty 68.82%
    Oily 44.39%
    Odorless 29.34%
    Fishy 19.27%
    Savory 18.77%
    Meaty 18.62%
    Creamy 17.71%
    Sweet 16.65%
    Dairy 15.37%

     

    Flavor
    Waxy 42.56%
    Fatty 37.45%
    Faint 32.86%
    Mild 30.22%
    Bland 30.14%
    Slightly waxy 23.77%
    Alkane 23.07%
    Fat 22.95%
    Odorless 22.59%
    Delicate 21.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.0

    pKa est.
    8.26 (weak base)

    Molecular weight
    450.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    552°C

    Flash point

    • 258.51 ˚C est.

  • Synonyms

    • Lumequeic acid
    • Lumepueic acid
    • 21-Triacontenoic acid, (21Z)-
    • 67329-09-3
    • 21 Z-Triacosenoic acid
    • 21-Triacontenoic acid, (Z)-
    • UNII-1M7194DPR1
    • 1M7194DPR1
    • 21Z-triacontenoic acid
    • cis-21-triacontenoic acid
    • 30:1(N-9)
    • C30:1n-9
    • (Z)-triacont-21-enoic acid
    • (21Z)-triacont-21-enoic acid
    • SCHEMBL413568
    • orb1696312
    • (21Z)-21-Triacontenoic acid
    • DTXSID501310136
    • LMFA01030097
    • AKOS040752730
    • FA(30:1)
    • Q27252602
    • 67329-09-3

  • Applications

    Lumequeic acid (CAS 67329-09-3) is used as an intermediate in organic synthesis and may function as a solvent or co-solvent in industrial manufacturing processes; it also acts as a chelating and stabilizing agent, applied as a processing aid in polymers and plastics; it is employed as a processing additive in coatings and inks or as an additive for adhesives and cleaning systems, including metal pretreatment and finishing; additional applications may include use in agrochemical formulations depending on formulators' requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.0
    methanol 1.22
    isopropanol 0.96
    water 0.01
    ethyl acetate 7.93
    n-propanol 1.52
    acetone 4.98
    n-butanol 1.96
    acetonitrile 1.06
    DMF 11.7
    toluene 4.97
    isobutanol 1.61
    1,4-dioxane 11.87
    methyl acetate 5.06
    THF 50.94
    2-butanone 8.49
    n-pentanol 2.73
    sec-butanol 2.18
    n-hexane 2.83
    ethylene glycol 0.12
    NMP 66.22
    cyclohexane 8.4
    DMSO 19.96
    n-butyl acetate 16.48
    n-octanol 6.99
    chloroform 39.5
    n-propyl acetate 15.66
    acetic acid 2.98
    dichloromethane 35.02
    cyclohexanone 37.66
    propylene glycol 0.48
    isopropyl acetate 11.67
    DMAc 43.04
    2-ethoxyethanol 6.72
    isopentanol 3.18
    n-heptane 3.86
    ethyl formate 3.83
    1,2-dichloroethane 21.4
    n-hexanol 3.18
    2-methoxyethanol 5.05
    isobutyl acetate 13.18
    tetrachloromethane 11.2
    n-pentyl acetate 33.83
    transcutol 73.04
    n-heptanol 5.78
    ethylbenzene 7.1
    MIBK 13.15
    2-propoxyethanol 9.4
    tert-butanol 3.32
    MTBE 9.7
    2-butoxyethanol 16.97
    propionic acid 3.06
    o-xylene 7.1
    formic acid 0.77
    diethyl ether 4.77
    m-xylene 5.64
    p-xylene 9.22
    chlorobenzene 9.5
    dimethyl carbonate 3.83
    n-octane 2.39
    formamide 1.41
    cyclopentanone 41.37
    2-pentanone 9.78
    anisole 12.2
    cyclopentyl methyl ether 26.49
    gamma-butyrolactone 35.11
    1-methoxy-2-propanol 7.35
    pyridine 12.88
    3-pentanone 10.64
    furfural 24.47
    n-dodecane 1.29
    diethylene glycol 2.89
    diisopropyl ether 5.51
    tert-amyl alcohol 5.73
    acetylacetone 16.79
    n-hexadecane 1.57
    acetophenone 19.19
    methyl propionate 7.51
    isopentyl acetate 21.21
    trichloroethylene 41.04
    n-nonanol 8.68
    cyclohexanol 6.7
    benzyl alcohol 5.48
    2-ethylhexanol 6.28
    isooctanol 7.72
    dipropyl ether 16.31
    1,2-dichlorobenzene 16.79
    ethyl lactate 8.36
    propylene carbonate 24.22
    n-methylformamide 2.82
    2-pentanol 2.33
    n-pentane 1.24
    1-propoxy-2-propanol 14.13
    1-methoxy-2-propyl acetate 24.04
    2-(2-methoxypropoxy) propanol 27.66
    mesitylene 6.12
    ε-caprolactone 38.22
    p-cymene 8.56
    epichlorohydrin 34.72
    1,1,1-trichloroethane 29.16
    2-aminoethanol 0.6
    morpholine-4-carbaldehyde 30.81
    sulfolane 95.25
    2,2,4-trimethylpentane 3.05
    2-methyltetrahydrofuran 30.33
    n-hexyl acetate 32.76
    isooctane 1.69
    2-(2-butoxyethoxy)ethanol 29.37
    sec-butyl acetate 16.58
    tert-butyl acetate 26.59
    decalin 6.3
    glycerin 1.27
    diglyme 66.46
    acrylic acid 2.17
    isopropyl myristate 14.17
    n-butyric acid 7.79
    acetyl acetate 8.01
    di(2-ethylhexyl) phthalate 11.03
    ethyl propionate 15.41
    nitromethane 7.07
    1,2-diethoxyethane 29.61
    benzonitrile 6.46
    trioctyl phosphate 8.32
    1-bromopropane 13.21
    gamma-valerolactone 52.38
    n-decanol 5.41
    triethyl phosphate 20.94
    4-methyl-2-pentanol 3.36
    propionitrile 2.04
    vinylene carbonate 15.14
    1,1,2-trichlorotrifluoroethane 28.26
    DMS 14.16
    cumene 7.04
    2-octanol 6.46
    2-hexanone 16.08
    octyl acetate 14.56
    limonene 14.02
    1,2-dimethoxyethane 23.73
    ethyl orthosilicate 22.85
    tributyl phosphate 11.75
    diacetone alcohol 21.54
    N,N-dimethylaniline 14.52
    acrylonitrile 1.97
    aniline 4.06
    1,3-propanediol 1.36
    bromobenzene 12.96
    dibromomethane 23.89
    1,1,2,2-tetrachloroethane 52.49
    2-methyl-cyclohexyl acetate 31.16
    tetrabutyl urea 21.24
    diisobutyl methanol 7.59
    2-phenylethanol 6.72
    styrene 6.37
    dioctyl adipate 25.43
    dimethyl sulfate 14.32
    ethyl butyrate 24.31
    methyl lactate 5.05
    butyl lactate 23.7
    diethyl carbonate 13.62
    propanediol butyl ether 13.26
    triethyl orthoformate 29.12
    p-tert-butyltoluene 8.56
    methyl 4-tert-butylbenzoate 38.8
    morpholine 16.06
    tert-butylamine 2.88
    n-dodecanol 3.74
    dimethoxymethane 8.48
    ethylene carbonate 13.49
    cyrene 27.42
    2-ethoxyethyl acetate 33.56
    2-ethylhexyl acetate 20.74
    1,2,4-trichlorobenzene 22.0
    4-methylpyridine 11.94
    dibutyl ether 22.45
    2,6-dimethyl-4-heptanol 7.59
    DEF 16.41
    dimethyl isosorbide 72.05
    tetrachloroethylene 29.4
    eugenol 24.61
    triacetin 41.18
    span 80 24.28
    1,4-butanediol 0.84
    1,1-dichloroethane 14.74
    2-methyl-1-pentanol 4.75
    methyl formate 2.31
    2-methyl-1-butanol 3.11
    n-decane 3.12
    butyronitrile 2.85
    3,7-dimethyl-1-octanol 9.88
    1-chlorooctane 11.55
    1-chlorotetradecane 3.62
    n-nonane 2.91
    undecane 1.87
    tert-butylcyclohexane 4.97
    cyclooctane 3.58
    cyclopentanol 6.62
    tetrahydropyran 19.19
    tert-amyl methyl ether 14.12
    2,5,8-trioxanonane 44.28
    1-hexene 4.7
    2-isopropoxyethanol 7.17
    2,2,2-trifluoroethanol 2.27
    methyl butyrate 21.27

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction